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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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96918 50025873 1 FO5N6C36H43 AB5C6D36E43 -225.85 9.57 -8.91 -0.56 0
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96919 50025876 1 FO5N6C37H45 AB5C6D37E45 -226.02 3.78 -8.23 -0.58 0
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96920 50025888 1 O4N5C35H51 A4B5C35D51 -186.99 8.16 -8.44 -0.46 0
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96921 50025896 1 N5O6C34H49 A5B6C34D49 -240.77 5.56 -8.67 -0.06 0
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96922 50025904 1 F2O5N6C40H50 A2B5C6D40E50 -288.68 5.61 -8.56 -0.82 0
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96923 50025906 1 FO5N6C41H53 AB5C6D41E53 -253.2 9.72 -8.71 -0.34 0
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96924 50025913 1 FO5N6C40H51 AB5C6D40E51 -244.52 6.75 -8.86 -0.65 0
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96925 50025915 1 N6O6C41H54 A6B6C41D54 -234.37 5.62 -8.53 -0.29 0
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96926 50025929 1 FO4N5C32H42 AB4C5D32E42 -203.07 1.78 -8.94 -0.21 0
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96927 50025930 1 BrO4N5C33H44 AB4C5D33E44 -159.23 10.38 -8.72 -0.47 0
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96928 50025932 1 N5O6C34H45 A5B6C34D45 -235.25 7.22 -8.27 -0.04 0
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96929 50025935 1 F2O5N6C40H48 A2B5C6D40E48 -277.71 1.44 -8.87 -0.56 0
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96930 50025968 1 FO4N5C37H44 AB4C5D37E44 -185.57 8.33 -9.06 -0.48 0
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96931 50025969 1 FO4N5C38H46 AB4C5D38E46 -197.03 7.34 -9.1 -0.47 0
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96932 50026001 1 F2O5N6C38H38 A2B5C6D38E38 -226.06 3.65 -8.99 -0.58 0
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96933 50026050 1 F3O4N5C33H42 A3B4C5D33E42 -309.47 7.65 -9.16 -0.94 0
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96934 50026052 1 ClN6O6C37H49 AB6C6D37E49 -250.13 6.22 -8.92 -0.52 0
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96935 50026055 1 ClO5N6C37H51 AB5C6D37E51 -232.28 7.44 -8.95 -0.57 0
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96936 50026103 1 F2O4N5C37H37 A2B4C5D37E37 -187.6 6.33 -8.67 -0.68 0
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96937 50026111 1 F3O5N6H37C38 A3B5C6D37E38 -270.88 12.56 -9.04 -0.77 0
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96938 50026112 1 F2O5N6C38H38 A2B5C6D38E38 -223.56 7.9 -8.9 -0.6 0
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96939 50026143 1 ClO5N6C39H55 AB5C6D39E55 -236.79 8.85 -8.88 -0.7 0
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96940 50026186 1 F2O5N6C40H42 A2B5C6D40E42 -232.16 7.28 -8.66 -0.99 0
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96941 50026187 1 F2O5N6C40H42 A2B5C6D40E42 -232.71 1.73 -8.8 -0.91 0
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96942 50026201 1 O5N6C38H48 A5B6C38D48 -190.01 13.13 -8.56 -0.56 0